input word = C00005239

Metabolite InformationStructural formula
Name Kaempferol 3-rutinoside-7-glucoside
Formula C33H40O20
Mw 756.21129372
CAS RN 34336-18-0
C_ID C00005239 ,
InChIKey SCEPATPTKMFDSR-XZGSULPCNA-N
InChICode InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-13(49-32-27(45)24(42)20(38)16(8-34)51-32)7-15(18)50-29(30)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23-,24-,25+,26+,27+,28+,31+,32+,33-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeElaeagnaceaeElaeagnus multiflora Ref.
PlantaeEquisetaceaeEquisetum palustre Ref.
PlantaeEquisetaceaeEquisetum telmateja Ref.
PlantaeFabaceaeMacroptilium spp. Ref.
PlantaeHostaceaeHosta ventricosa Ref.
PlantaeIridaceaeCrocus etruscus Ref.
PlantaeIridaceaeCrocus fleischeri Ref.
PlantaeIridaceaeCrocus spp. Ref.
PlantaeLiliaceaeTulipa gesneriana Ref.
PlantaeLimnanthaceaeLimnanthes douglasii Ref.
PlantaeRosaceaePotentilla spp. Ref.
PlantaeSolanaceaeDatura spp. Ref.
PlantaeSolanaceaeLycium halimifolium Ref.
PlantaeSolanaceaeNicotiana spp. Ref.
PlantaeSolanaceaePhysalis peruviana Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
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